3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C11H18N2O3 — CID 79277877

IUPAC3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCNCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-2-5-12-7-10(14)13-9-4-3-8(6-9)11(15)16/h2,8-9,12H,1,3-7H2,(H,13,14)(H,15,16)
InChIKeyVAOSHCDBXTTZFE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.13
Rot. Bonds6

About 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 79277877) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID79277877
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CCNCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-2-5-12-7-10(14)13-9-4-3-8(6-9)11(15)16/h2,8-9,12H,1,3-7H2,(H,13,14)(H,15,16)
InChIKeyVAOSHCDBXTTZFE-UHFFFAOYSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79261458
cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 114173492
cis-(1R,3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874047
cis-(1S,3R)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 57874102
3-(Prop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 65998261
(3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid
CID 89374193
trans-(1R,3R)-3-(prop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 138491258
cis-(1R,3S)-3-(pent-4-enoylamino)cyclopentane-1-carboxylic acid;ethane;6-(pent-4-enoylamino)hexanoic acid
CID 143088130
4-[[2-Oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
4-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
4-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
4-Methyl-6-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]hexanoic acid
CID 65289751

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 79277877) is 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid is C=CCNCC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is VAOSHCDBXTTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-5-12-7-10(14)13-9-4-3-8(6-9)11(15)16/h2,8-9,12H,1,3-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(prop-2-enylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79277877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).